SCHEMBL1585049

SCHEMBL1585049

N#CCC1CCCN1c1cccc(OCc2ccccc2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 5/20 0.53
SPHK1 Q9NYA1 4/20 0.53
NPC1 O15118 1/20 0.45
NR4A2 P43354 1/20 0.45
RAB9A P51151 1/20 0.45
FFAR1 O14842 5/20 0.44
PPARG P37231 1/20 0.44
HRH3 Q9Y5N1 2/20 0.42
MCHR1 Q99705 1/20 0.40
OTUD7B Q6GQQ9 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1585051 1.00 SPHK2 (0.53) SPHK2SPHK1NPC1NR4A2RAB9A
SCHEMBL1584419 0.84 SPHK2 (0.52) SPHK2SPHK1MCHR1
SCHEMBL1584417 0.84 SPHK2 (0.52) SPHK2SPHK1MCHR1
SCHEMBL1584331 0.82 FFAR1 (0.66) SPHK2SPHK1NPC1NR4A2RAB9A
SCHEMBL1584330 0.82 FFAR1 (0.66) SPHK2SPHK1NPC1NR4A2RAB9A
SCHEMBL1585356 0.75 CHRNB2 (0.42)
SCHEMBL1585359 0.75 CHRNB2 (0.42)
SCHEMBL12707818 0.75 FFAR1 (0.46) FFAR1PPARGSLC6A4
SCHEMBL1584278 0.74 FFAR1 (0.53) FFAR1PPARG
SCHEMBL1584275 0.74 FFAR1 (0.53) FFAR1PPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486005-B1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 EP disclosed
US-8288404-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-16 US disclosed
EP-2486005-A1 PYRROLIDINE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
WO-2011044073-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO disclosed
US-20110082165-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-04-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110082165-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR27 SPHK2 652/4885SPHK1 530/4885NPC1 1076/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.